4-(methylamino)-N-[4-(propan-2-yloxymethyl)phenyl]butanamide

C15H24N2O2 — CID 119742858

IUPAC4-(methylamino)-N-[4-(propan-2-yloxymethyl)phenyl]butanamide
SMILESCNCCCC(=O)Nc1ccc(COC(C)C)cc1
InChIInChI=1S/C15H24N2O2/c1-12(2)19-11-13-6-8-14(9-7-13)17-15(18)5-4-10-16-3/h6-9,12,16H,4-5,10-11H2,1-3H3,(H,17,18)
InChIKeyLUCDKGDLNJCCHR-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.55
Rot. Bonds8

About 4-(methylamino)-N-[4-(propan-2-yloxymethyl)phenyl]butanamide

4-(methylamino)-N-[4-(propan-2-yloxymethyl)phenyl]butanamide (PubChem CID 119742858) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-(methylamino)-N-[4-(propan-2-yloxymethyl)phenyl]butanamide.

Molecular Properties

Compound Name4-(methylamino)-N-[4-(propan-2-yloxymethyl)phenyl]butanamide
PubChem CID119742858
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name4-(methylamino)-N-[4-(propan-2-yloxymethyl)phenyl]butanamide
SMILESCNCCCC(=O)Nc1ccc(COC(C)C)cc1
InChIInChI=1S/C15H24N2O2/c1-12(2)19-11-13-6-8-14(9-7-13)17-15(18)5-4-10-16-3/h6-9,12,16H,4-5,10-11H2,1-3H3,(H,17,18)
InChIKeyLUCDKGDLNJCCHR-UHFFFAOYSA-N
XLogP2.55
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-oxopentoxy)-N-[4-(propan-2-yloxymethyl)phenyl]propanamide
CID 159274312
methyl N-[4-[4-(methylamino)butanoylamino]phenyl]carbamate
CID 60841899
4-(methylamino)-N-(4-methylphenyl)butanamide
CID 60842217
2-methyl-3-(methylamino)-N-[4-(propan-2-yloxymethyl)phenyl]propanamide
CID 119742882
N-[4-(cyclopentyloxymethyl)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119795197
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119719005
N-(4-acetylphenyl)-4-(methylamino)butanamide
CID 61258439
[4-[4-(propan-2-ylamino)butanoylamino]phenyl]methyl acetate
CID 144997484
N-(4-ethoxyphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119670696
4-(methylamino)-N-phenylbutanamide;hydrochloride
CID 75493451
3-[4-[4-(methylamino)butanoylamino]phenyl]butanoic acid
CID 104503002
4-(methylamino)-N-(3-methyl-4-propan-2-yloxyphenyl)butanamide
CID 119802582

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[4-(propan-2-yloxymethyl)phenyl]butanamide?
The IUPAC name of 4-(methylamino)-N-[4-(propan-2-yloxymethyl)phenyl]butanamide (CID 119742858) is 4-(methylamino)-N-[4-(propan-2-yloxymethyl)phenyl]butanamide.
What is the SMILES notation for 4-(methylamino)-N-[4-(propan-2-yloxymethyl)phenyl]butanamide?
The canonical SMILES for 4-(methylamino)-N-[4-(propan-2-yloxymethyl)phenyl]butanamide is CNCCCC(=O)Nc1ccc(COC(C)C)cc1.
What is the InChIKey of 4-(methylamino)-N-[4-(propan-2-yloxymethyl)phenyl]butanamide?
The InChIKey is LUCDKGDLNJCCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12(2)19-11-13-6-8-14(9-7-13)17-15(18)5-4-10-16-3/h6-9,12,16H,4-5,10-11H2,1-3H3,(H,17,18).
What are the key properties of 4-(methylamino)-N-[4-(propan-2-yloxymethyl)phenyl]butanamide?
4-(methylamino)-N-[4-(propan-2-yloxymethyl)phenyl]butanamide has a molecular weight of 264.37 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[4-(propan-2-yloxymethyl)phenyl]butanamide is sourced from PubChem (CID 119742858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).